Geometry & MOs

Info

ID:	53042
PubChem CID:	14709455
Reduced:	SO2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	279.083019
ΔH_f, kcal/mol:	28.49
Dipole, Da:	1.8
IP(EA), eV:	-8.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)benzo[g][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C[C@H]([C@@H]4O)O)C=C3

DOS

IR

Vibrations